As the hexoside forms of coniferyl aldehyde, fraxetin, isofraxidin and sinapyl aldehyde, respectively (Table) in the good fit between the MS ion trap spectra of (, and , respectively) (Table) and the MS spectra on the corresponding aglycone requirements (Table).Coumarinolignans Newly Identified Compounds Synthesized in Response to FeDeficiencyThe final five compounds ( in Table ) are extremely hydrophobic, considering that they elute later (RTs min) than compounds (RTsFrontiers in Plant Science www.frontiersin.orgNovember Volume ArticleSisTerraza et al.Coumarins in FeDeficient Arabidopsis PlantsTABLE Phenolic compounds secreted and accumulated by Arabidopsis thaliana roots in response to Fe deficiency retention instances (RT), exact masstocharge ratios (mz), molecular formulae and error mz (in ppm).Compound # RT (min) program ………………RT (min) system ………………Measured mz …. …………………………..Molecular formula C H O C H O C H O C H O C H O Na C H O C H O C H O C H O Na C H O C H O K C H O C H O C H O C H O C H O C H O C H O C H O C H O C H O C H O C H O C H O C H O C H O C H O C H O C H O C H O C H O C H O C H O C H O C H O C H O Calculated mz ………………………………Error mz (ppm) ……………………………..dihydroxymethoxycoumarin hexoside (fraxetin hexoside) hydroxy,dimethoxycoumarin hexoside (isofraxidin hexoside) Sinapyl aldehyde hexoside ,dihydroxymethoxycoumarin (fraxetin) hydroxymethoxycoumarin (scopoletin) hydroxy,dimethoxycoumarin (isofraxidin) Ferulic acid hydroxy,dimethoxycoumarin (fraxinol) Melperone Epigenetic Reader Domain Conyferyl aldehyde Sinapyl aldehyde hydroxycleomiscosins A andor B Cleomiscosin D Cleomiscosin C Cleomiscosin B Cleomiscosin A Coniferyl aldehyde hexoside Annotationhydroxymethoxycoumarin hexoside (scopolin, scopoletin hexoside) Ferulic acid hexosideThe mz ratios for [MH] and [MH] had been determined in the HPLCESIMS(TOF) information obtained in positive and adverse mode, respectively.For compounds , , and in constructive mode, the mz shown are those measured for the Na ([MNa]) or K ([MK]) adducts, simply because they have been much more intense than those for [MH] .Popular names for coumarins are also indicated in brackets.min), and have mz values supporting elemental formulae with a higher quantity of C atoms ( vs.for compounds).In fact, the RTs of are in line with those of phenolics bearing either C (C C C ; as in flavonoids and stilbens) or C (C C C C ; as in lignans) skeletons ( min; Supplementary Figures S and S), whereas compounds (coumarins and phenylpropanoids) share a C (C) skeleton and compounds (hexose conjugates of) share a C (C C C ) skeleton (Table).The MS(TOF) spectra show that compounds are two pairs of isomers, with elemental formulae C H O for and C H O for , with all the difference among formulae being consistent using a single methoxy (OCH) group.The elemental formula of compound , C H O , is consistent withthe addition of each a hydroxyl (OH) group to or the addition of a methyl (CH) group to .The presence of these structural variations are typical amongst phenolics, given that part of the phenylpropanoid biosynthesis proceeds by way of a series of ring hydroxylations and Omethylations.The low resolution MS spectra from to (Figure A) indicate that these five compounds have extremely associated chemical structures (i) the spectra of show the exact same ions with only some differences in their relative intensity, and also the exact same PubMed ID:http://www.ncbi.nlm.nih.gov/pubmed/21541725 was also observed for ; (ii) a lot of the ions inside the spectr.